LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# Point dipoles in a 2d box

units		lj
atom_style  charge

read_data data.hammersley_sphere
  orthogonal box = (-51.5 -51.5 -51.5) to (51.5 51.5 51.5)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  1000 atoms
change_box all boundary f f f

velocity	all create 1.5 49893

neighbor	1.0 bin
neigh_modify	delay 0

fix             1 all nve

# LAMMPS computes pairwise and long-range Coulombics

#pair_style      coul/long 3.0
#pair_coeff      * *
#kspace_style    pppm 1.0e-3

# Scafacos computes entire long-range Coulombics
# use dummy pair style to perform atom sorting

pair_style	zero 1.0
pair_coeff	* *

#fix		2 all scafacos p3m tolerance field 0.001

kspace_style    scafacos direct 0.001

timestep	0.005
thermo          1
run		20
Setting up ScaFaCoS with solver direct ...
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2
  ghost atom cutoff = 2
  binsize = 1, bins = 103 103 103
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair zero, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.44 | 10.44 | 10.44 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0          1.5  -0.62417787            0    1.6235721 0.0015226607 
       1    18.780041   -10.770002            0    17.371889   0.01623671 
       2    65.289192   -11.084705            0    86.751149  0.058612772 
       3    121.92987   -7.0625759            0    175.64933   0.11076005 
       4    185.78164   -5.8777512            0    272.51604   0.16958509 
       5    286.36222    -4.382053            0    424.73173   0.26142467 
       6    481.42206   -4.3095567            0     717.1014   0.43968187 
       7    488.59167   -3.8685194            0     728.2861    0.4463127 
       8    497.85287   -3.0417966            0    742.99073   0.45487101 
       9    499.61615    -3.419003            0     745.2558   0.45628141 
      10    502.63684   -2.8360961            0    750.36521   0.45917024 
      11     504.4846   -2.7628105            0    753.20736   0.46093759 
      12    506.54485   -2.8460356            0    756.21142   0.46276966 
      13    508.27211    -2.730935            0    758.91482   0.46434596 
      14    510.57045   -2.6094877            0    762.48033   0.46645996 
      15    513.14798   -2.7150827            0    766.23717   0.46882762 
      16    515.78124   -2.3961811            0    770.50201   0.47126623 
      17    515.70265   -2.2982683            0    770.48215   0.47126898 
      18     515.7081   -2.1515983            0    770.63699   0.47130565 
      19    515.74906   -2.0581436            0    770.79182   0.47131132 
      20    515.70883   -1.8922577            0    770.89742   0.47127372 
Loop time of 0.139386 on 1 procs for 20 steps with 1000 atoms

Performance: 61985.954 tau/day, 143.486 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.4359e-05 | 5.4359e-05 | 5.4359e-05 |   0.0 |  0.04
Kspace  | 0.1018     | 0.1018     | 0.1018     |   0.0 | 73.03
Neigh   | 0.037074   | 0.037074   | 0.037074   |   0.0 | 26.60
Comm    | 4.6492e-05 | 4.6492e-05 | 4.6492e-05 |   0.0 |  0.03
Output  | 0.00016332 | 0.00016332 | 0.00016332 |   0.0 |  0.12
Modify  | 0.000139   | 0.000139   | 0.000139   |   0.0 |  0.10
Other   |            | 0.0001132  |            |       |  0.08

Nlocal:    1000 ave 1000 max 1000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    247817 ave 247817 max 247817 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 247817
Ave neighs/atom = 247.817
Neighbor list builds = 19
Dangerous builds = 18
Total wall time: 0:00:00
